6-(2-aminopyrimidin-4-yl)-4-methoxy-1H-indazol-3-amine

C12H12N6O — CID 46214313

IUPAC6-(2-aminopyrimidin-4-yl)-4-methoxy-1H-indazol-3-amine
SMILESCOc1cc(-c2ccnc(N)n2)cc2[nH]nc(N)c12
InChIInChI=1S/C12H12N6O/c1-19-9-5-6(7-2-3-15-12(14)16-7)4-8-10(9)11(13)18-17-8/h2-5H,1H3,(H3,13,17,18)(H2,14,15,16)
InChIKeyNXEWXIGJIAPIPW-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.19
Rot. Bonds2

About 6-(2-aminopyrimidin-4-yl)-4-methoxy-1H-indazol-3-amine

6-(2-aminopyrimidin-4-yl)-4-methoxy-1H-indazol-3-amine (PubChem CID 46214313) has the molecular formula C12H12N6O and a molecular weight of 256.27 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-4-yl)-4-methoxy-1H-indazol-3-amine.

Molecular Properties

Compound Name6-(2-aminopyrimidin-4-yl)-4-methoxy-1H-indazol-3-amine
PubChem CID46214313
Molecular FormulaC12H12N6O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name6-(2-aminopyrimidin-4-yl)-4-methoxy-1H-indazol-3-amine
SMILESCOc1cc(-c2ccnc(N)n2)cc2[nH]nc(N)c12
InChIInChI=1S/C12H12N6O/c1-19-9-5-6(7-2-3-15-12(14)16-7)4-8-10(9)11(13)18-17-8/h2-5H,1H3,(H3,13,17,18)(H2,14,15,16)
InChIKeyNXEWXIGJIAPIPW-UHFFFAOYSA-N
XLogP1.19
TPSA115.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrazolopyridazine 1
CID 6539361
Pyrazolo[1,5-b]pyridazine deriv. 33
CID 6539375
Sgc-clk-1
CID 6539389
Pyrazolo[1,5-b]pyridazine deriv. 42
CID 6539384
Pyrazolo[1,5-b]pyridazine deriv. 53
CID 6539395
3-[(1E)-{2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]aniline
CID 91412413
6-methoxy-3,8-dimethyl-N-(pyridin-4-ylmethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine
CID 57390415
4-[fluoro(pyridin-4-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline
CID 57403377
6-(3-fluoro-2-methyl-4-pyridinyl)-5-methoxy-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine
CID 166635576
N-[(E)-(3-aminophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 9604945
N-[(E)-[4-[(dimethylamino)methyl]phenyl]methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 9604953
N-[(E)-[4-(ethylaminomethyl)phenyl]methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 9604954

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-4-yl)-4-methoxy-1H-indazol-3-amine?
The IUPAC name of 6-(2-aminopyrimidin-4-yl)-4-methoxy-1H-indazol-3-amine (CID 46214313) is 6-(2-aminopyrimidin-4-yl)-4-methoxy-1H-indazol-3-amine.
What is the SMILES notation for 6-(2-aminopyrimidin-4-yl)-4-methoxy-1H-indazol-3-amine?
The canonical SMILES for 6-(2-aminopyrimidin-4-yl)-4-methoxy-1H-indazol-3-amine is COc1cc(-c2ccnc(N)n2)cc2[nH]nc(N)c12.
What is the InChIKey of 6-(2-aminopyrimidin-4-yl)-4-methoxy-1H-indazol-3-amine?
The InChIKey is NXEWXIGJIAPIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O/c1-19-9-5-6(7-2-3-15-12(14)16-7)4-8-10(9)11(13)18-17-8/h2-5H,1H3,(H3,13,17,18)(H2,14,15,16).
What are the key properties of 6-(2-aminopyrimidin-4-yl)-4-methoxy-1H-indazol-3-amine?
6-(2-aminopyrimidin-4-yl)-4-methoxy-1H-indazol-3-amine has a molecular weight of 256.27 g/mol, XLogP of 1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-4-yl)-4-methoxy-1H-indazol-3-amine is sourced from PubChem (CID 46214313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).